Spectrum CB000200 for Napelline N-oxide

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Alkaloids
C22H33NO4
375.24095853600005
O=N1(CC)CC2(C)CCC(O)C34C2CC(C31)C56CC(C(=C)C5O)C(O)CC64
InChI=1S/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13?,14+,15+,16+,17+,18?,19-,20+,21-,22+,23?/m1/s1
DEMQJEXKIJFBRD-OVFJBZHQSA-N

Mass Spectral Metadata

NameValue
positive
MS1
CB000200
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
375.5126
ABSciex API3200 LC/MS system
LC-ESI-QQQ
3.4434508993725195
0.8410261635390244
[M+H]+
376.24892853600005
0.0 ppm
0.0 Da